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Current Position: Home > Dictionary EN > 1 > 931-17-9

1,2-Cyclohexanediol 931-17-9

 
931-17-9 Properties
Density 1.156
Boiling Point 118-120℃ (10 mmHg)
Flash Point 114.3 °C
Melting Point 73-77℃
Appearance beige crystals.
Refractive Index 1.4270 (estimate)
Solubility soluble
Color/Form White to off-white
HS Code 2906199090
 
931-17-9 Safety Infomation
Safety Statements S23;S24/25
Toxicity

CHEMICAL IDENTIFICATION

RTECS NUMBER :
GV0220000
CHEMICAL NAME :
1,2-Cyclohexanediol
CAS REGISTRY NUMBER :
931-17-9
BEILSTEIN REFERENCE NO. :
2036627
LAST UPDATED :
199709
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C6-H12-O2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Subcutaneous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
108 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ZGIMAL Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. (Buchexport, Postfach 160, Leipzig DDR-7010, Ger. Dem. Rep.) V.1- 1946- Volume(issue)/page/year: 2,333,1947
Specification

This chemical is called 1,2-Cyclohexanediol, and its systematic name is Cyclohexane-1,2-diol. With the CAS registry number of 931-17-9, its molecular weight is 116.1583. In addition, this chemical is beige crystal, and it's stable at the normal temperature and pressure. However, this chemical should be stored in the sealed container which should be kept cool and dry. Especially, keep this chemical far way from strong oxidizer.

Other characteristics of this chemical can be summarised as followings: (1)XLogP3: 0.2; (2)Rotatable Bond Count: 0; (3)Exact Mass: 116.08373; (4)MonoIsotopic Mass: 116.08373; (5)Topological Polar Surface Area: 40.5; (6)Heavy Atom Count: 8; (7)Formal Charge: 0; (8)Complexity: 62.9; (9)Isotope Atom Count: 0; (10)Defined Atom StereoCenter Count: 0; (11)Undefined Atom StereoCenter Count: 2; (12)Defined Bond StereoCenter Count: 0; (13)Undefined Bond StereoCenter Count: 0; (14)Covalently-Bonded Unit Count: 1; (15)ACD/LogP: 0.15; (16)# of Rule of 5 Violations: 0; (17)ACD/LogD (pH 5.5): 0.15; (18)ACD/LogD (pH 7.4): 0.15; (19)ACD/BCF (pH 5.5): 1; (20)ACD/BCF (pH 7.4): 1; (21)ACD/KOC (pH 5.5): 28.89; (22)ACD/KOC (pH 7.4): 28.89; (23)#H bond acceptors: 2; (24)#H bond donors: 2; (25)#Freely Rotating Bonds: 2; (26)Polar Surface Area: 18.46 Å2; (27)Index of Refraction: 1.526; (28)Molar Refractivity: 30.85 cm3; (29)Molar Volume: 100.4 cm3; (30)Polarizability: 12.23×10-24cm3; (31)Surface Tension: 40.7 dyne/cm; (32)Density: 1.156 g/cm3; (33)Flash Point: 114.3 °C; (34)Enthalpy of Vaporization: 55.04 kJ/mol; (35)Boiling Point: 236.7 °C at 760 mmHg; (36)Vapour Pressure: 0.00839 mmHg at 25°C.

Preparation of this chemical: The Cyclohexane-1,2-diol could be obtained by the reactant cyclohexene, the reagents dodecyl sulfate, NaOH, NaCl, KMnO4, and the solvent H2O. In addition, this reaction should be taken at the temperature of 25°C.



Uses of this chemical: The Cyclohexa-1,3-diene could be obtained by the reactant Cyclohexane-1,2-diol and the reagent copper(II) triflate. In addition, the yield is 35 %.



When you are using this chemical, please be cautious about it as the following: The 1,2-Cyclohexanediol is toxic, please avoid contacting with skin and eyes and do not breathe its vapour.

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 subcutaneous 108mg/kg (108mg/kg)   Zeitschrift fuer die Gesamte Innere Medizin und Ihre Grenzgebiete. Vol. 2, Pg. 333, 1947.

 
 
 
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